N-[(1S)-1-(1-adamantyl)propyl]-3-(3-nitropyrazol-1-yl)propanamide

Systemtic Name: N-[(1S)-1-(1-adamantyl)propyl]-3-(3-nitropyrazol-1-yl)propanamide Openeye Name: N-[(1S)-1-(1-adamantyl)propyl]-3-(3-nitropyrazol-1-yl)propanamide CAS Name: N-[(1S)-1-(1-adamantyl)propyl]-3-(3-nitro-1-pyrazolyl)propanamide IUPAC Name: N-[(1S)-1-(1-adamantyl)propyl]-3-(3-nitropyrazol-1-yl)propanamide Traditional Name: N-[(1S)-1-(1-adamantyl)propyl]-3-(3-nitropyrazol-1-yl)propionamide Formula: C19H28N4O3 MolecularWeight: 360.45062

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C12CC3CC(C1)CC(C3)C2)NC(=O)CCN4C=CC(=N4)[N+](=O)[O-]

Isomeric SMILES

CC[C@@H](C12CC3CC(C1)CC(C3)C2)NC(=O)CCN4C=CC(=N4)[N+](=O)[O-]

InChI

InChI=1S/C19H28N4O3/c1-2-16(19-10-13-7-14(11-19)9-15(8-13)12-19)20-18(24)4-6-22-5-3-17(21-22)23(25)26/h3,5,13-16H,2,4,6-12H2,1H3,(H,20,24)/t13?,14?,15?,16-,19?/m0/s1